N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide

C18H33N5O4 — CID 3667407

IUPACN-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)NC1CCN(C(=O)CC(C)(C)C)C1C(=O)N(C)CC(N)=O
InChIInChI=1S/C18H33N5O4/c1-11(2)20-17(27)21-12-7-8-23(14(25)9-18(3,4)5)15(12)16(26)22(6)10-13(19)24/h11-12,15H,7-10H2,1-6H3,(H2,19,24)(H2,20,21,27)
InChIKeyCNJNALGFQLMBOC-UHFFFAOYSA-N
MW383.49 g/mol
LogP0.04
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide

N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide (PubChem CID 3667407) has the molecular formula C18H33N5O4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide
PubChem CID3667407
Molecular FormulaC18H33N5O4
Molecular Weight383.49 g/mol
Exact Mass383.25
IUPAC NameN-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)NC1CCN(C(=O)CC(C)(C)C)C1C(=O)N(C)CC(N)=O
InChIInChI=1S/C18H33N5O4/c1-11(2)20-17(27)21-12-7-8-23(14(25)9-18(3,4)5)15(12)16(26)22(6)10-13(19)24/h11-12,15H,7-10H2,1-6H3,(H2,19,24)(H2,20,21,27)
InChIKeyCNJNALGFQLMBOC-UHFFFAOYSA-N
XLogP0.04
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide (CID 3667407) is N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide is CC(C)NC(=O)NC1CCN(C(=O)CC(C)(C)C)C1C(=O)N(C)CC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide?
The InChIKey is CNJNALGFQLMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O4/c1-11(2)20-17(27)21-12-7-8-23(14(25)9-18(3,4)5)15(12)16(26)22(6)10-13(19)24/h11-12,15H,7-10H2,1-6H3,(H2,19,24)(H2,20,21,27).
What are the key properties of N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide?
N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-(3,3-dimethylbutanoyl)-N-methyl-3-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3667407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).